CID 87153387

C15H27BNO5P — CID 87153387

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)C(OP(C)OCC[N+]#[C-])[C@@H]1O[C@H](C)[C@H](C)OC
InChIInChI=1S/C15H27BNO5P/c1-7-12-13(22-23(6)19-9-8-17-4)14(15(16)21-12)20-11(3)10(2)18-5/h10-15H,7-9H2,1-3,5-6H3/t10-,11+,12+,13?,14-,15+,23?/m0/s1
InChIKeyDFSOMFISNBWDSL-LEBKZODUSA-N
MW343.17 g/mol
LogP2.36
Rot. Bonds10

About CID 87153387

CID 87153387 (PubChem CID 87153387) has the molecular formula C15H27BNO5P and a molecular weight of 343.17 g/mol.

Molecular Properties

Compound NameCID 87153387
PubChem CID87153387
Molecular FormulaC15H27BNO5P
Molecular Weight343.17 g/mol
Exact Mass343.17
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)C(OP(C)OCC[N+]#[C-])[C@@H]1O[C@H](C)[C@H](C)OC
InChIInChI=1S/C15H27BNO5P/c1-7-12-13(22-23(6)19-9-8-17-4)14(15(16)21-12)20-11(3)10(2)18-5/h10-15H,7-9H2,1-3,5-6H3/t10-,11+,12+,13?,14-,15+,23?/m0/s1
InChIKeyDFSOMFISNBWDSL-LEBKZODUSA-N
XLogP2.36
TPSA50.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 88533246
CID 160612010
CID 160612010
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CID 59628392
CID 160623720
CID 160623720
CID 59628390
CID 59628390
CID 159126845
CID 159126845
CID 162228877
CID 162228877
2-isocyanoethoxy-methyl-[2-[2-[2-[(2R)-2-methylbutoxy]ethoxy]ethoxy]ethoxy]phosphane
CID 167543361
CID 20782811
CID 20782811
N-[[(2R,3R,4S,5S)-2-(deuteriomethyl)-4-methoxy-5-methyloxolan-3-yl]oxy-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 161165198
CID 59628408
CID 59628408
CID 88533248
CID 88533248

Frequently Asked Questions

What is the IUPAC name of CID 87153387?
The IUPAC name of CID 87153387 (CID 87153387) is not available.
What is the SMILES notation for CID 87153387?
The canonical SMILES for CID 87153387 is [B][C@@H]1O[C@H](CC)C(OP(C)OCC[N+]#[C-])[C@@H]1O[C@H](C)[C@H](C)OC.
What is the InChIKey of CID 87153387?
The InChIKey is DFSOMFISNBWDSL-LEBKZODUSA-N. The full InChI is InChI=1S/C15H27BNO5P/c1-7-12-13(22-23(6)19-9-8-17-4)14(15(16)21-12)20-11(3)10(2)18-5/h10-15H,7-9H2,1-3,5-6H3/t10-,11+,12+,13?,14-,15+,23?/m0/s1.
What are the key properties of CID 87153387?
CID 87153387 has a molecular weight of 343.17 g/mol, XLogP of 2.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87153387 is sourced from PubChem (CID 87153387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).